NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.7670 8.5445 117.8493 56.3643 29.5599 172.1174 *1C H 4.5339 8.1080 117.9171 54.3927 33.2911 171.9464 1D H 4.9650 8.7398 116.8338 55.6043 30.5168 173.8062 1E H 5.1038 7.7319 115.6220 53.7519 32.6085 172.4110 1F H 4.5937 8.9629 117.1504 56.0825 28.8359 174.3714 1G F 4.7925 8.4302 119.2371 57.8210 39.9049 174.1917 2 N 4.5876 8.5170 117.3759 52.3737 38.7056 174.5175 3 L 4.7439 8.0782 123.4828 52.2091 43.8985 174.5695 4 P 4.6001 0.0000 0.0000 61.1383 32.6229 174.1497 5 P 4.3546 0.0000 0.0000 62.4197 32.1686 174.8827 6 G 4.2292 7.4672 104.8237 43.1575 0.0000 172.1134 7 N 4.6284 7.7349 116.5557 51.3732 40.2881 173.7878 8 Y 4.7606 8.0239 114.6372 57.8936 38.4975 177.0841 9 K 4.0511 9.0160 124.1621 59.7534 32.2281 178.0796 10 K 4.6363 7.6290 117.6432 51.7474 34.0024 175.7191 11 P 4.8749 0.0000 0.0000 63.8434 32.8535 174.9728 12 K 5.1697 9.3985 119.0499 55.2452 37.2692 175.2919 13 L 5.3384 9.1233 121.0821 52.7207 44.8138 176.2643 14 L 5.2122 8.8066 121.0342 53.4194 43.9516 174.3297 15 Y 4.8980 9.4327 126.7911 56.6404 40.5589 173.5287 16 C 4.2410 8.8109 128.8351 56.5100 32.3692 174.6340 17 S 3.8398 8.2588 121.8604 60.7948 63.0200 174.8774 18 N 4.1041 7.8206 119.2799 56.2674 38.3488 175.3049 19 G 3.8844 7.6472 102.5689 44.3334 0.0000 172.1489 20 G 3.4839 7.7110 106.8625 44.8173 0.0000 173.1160 21 H 4.9663 7.0721 114.1302 53.6554 33.4387 174.2309 22 F 5.4153 8.9932 120.2547 55.7749 40.7484 175.3986 23 L 4.6525 9.3437 126.5061 55.8967 43.2381 175.7688 24 R 5.0953 9.5546 124.9151 54.8584 34.1110 173.7820 25 I 4.9257 8.4441 125.9372 59.4708 39.4312 175.7071 26 L 4.1266 8.9900 128.1410 53.3796 42.3321 176.8058 27 P 4.3557 0.0000 0.0000 65.8145 31.2624 177.4075 28 D 4.4953 7.9638 114.5778 53.8213 39.7829 177.0216 29 G 4.2502 8.6808 110.3347 45.2809 0.0000 173.8715 30 T 4.2341 8.5928 118.1937 63.4246 69.0043 173.3751 31 V 4.9495 8.1473 125.3769 61.2176 34.1168 174.4250 32 D 4.5871 8.7547 126.1123 53.0354 42.8296 174.0765 33 G 4.5743 8.7712 104.8255 45.3766 0.0000 172.2716 34 T 5.0070 8.8830 115.6219 60.3937 70.9029 174.7707 35 R 4.2472 8.8855 124.5363 57.0509 31.0519 176.3631 36 D 4.5999 8.2452 118.7631 53.3373 40.1790 176.5794 37 R 3.6629 8.6523 128.1142 58.5862 30.2627 177.4862 38 S 4.2899 8.8957 111.4279 59.0968 63.6280 174.0668 39 D 4.3491 7.6830 121.0745 55.3336 41.1546 176.1239 40 Q 4.2768 8.4628 122.7476 56.6001 29.3908 175.7402 41 H 4.8152 9.3428 116.4501 55.5044 29.7424 174.4484 42 I 4.6207 7.2855 110.2094 60.0098 38.9972 174.3841 43 Q 4.5255 7.3324 122.7944 54.8056 30.6659 174.5367 44 F 5.2508 9.2019 122.1571 55.6715 43.6666 173.8033 45 Q 4.8275 9.4976 124.9137 54.7719 30.0369 174.5558 46 L 5.2453 8.6257 126.9229 54.2294 43.4012 176.4363 47 S 4.5767 8.6465 114.9005 56.9199 66.7656 172.6050 48 A 4.4358 8.2291 123.1870 51.5328 20.1040 175.0951 49 E 3.9779 9.1273 122.2288 56.0829 30.0137 178.0816 50 S 4.6858 6.8944 113.8758 56.2684 65.8324 173.8416 51 V 3.8755 8.1641 121.4688 64.6904 31.5739 176.1690 52 G 3.9191 9.2044 114.7343 45.2900 0.0000 171.7563 53 E 5.1977 8.2212 119.8638 54.5873 32.1624 175.6541 54 V 4.8707 8.8565 116.4504 59.9358 36.9142 173.7527 55 Y 5.0907 8.8808 119.7121 56.4592 41.0966 175.3337 56 I 4.3126 8.6320 123.2720 59.6348 39.9643 173.9705 57 K 4.6269 8.6703 129.4380 53.9857 34.5315 175.2806 58 S 4.3758 9.1571 123.6408 58.8136 62.6189 174.9522 59 T 3.8044 8.3477 118.6598 64.6733 68.7379 175.8795 60 E 4.0234 8.1951 122.3550 58.2073 29.9178 177.0081 61 T 4.2926 8.0553 106.8288 60.8288 70.2527 175.6231 62 G 3.8598 8.1727 109.7897 45.0874 0.0000 173.6729 63 Q 4.4562 7.6946 118.9859 56.0961 30.2788 174.6556 64 Y 4.8587 8.8682 120.1584 56.0457 40.5191 175.0964 65 L 4.3980 9.0407 126.0733 55.3976 43.4382 175.6350 66 A 5.0280 8.7668 126.1480 50.7461 23.3220 174.5000 67 M 5.3914 8.5390 118.9944 53.8062 34.9185 175.3608 68 D 5.2343 9.7773 126.4321 52.0282 40.8113 177.1766 69 T 4.1158 8.5503 108.6939 64.1119 68.5991 174.5329 70 D 4.6434 8.5217 120.7402 54.2667 41.5747 177.2697 71 G 3.2354 8.6529 108.9841 44.7290 0.0000 172.9740 72 L 4.5259 7.7512 120.0737 53.7750 42.6861 175.7699 73 V 4.8305 8.2628 123.5286 62.6242 32.6611 174.3631 74 Y 4.9174 9.1505 124.8222 55.8984 42.0583 173.5193 75 G 4.2709 8.9154 108.2453 45.4147 0.0000 173.2679 76 S 5.1115 9.0745 121.0987 56.7919 64.0144 175.3490 77 Q 4.1416 9.0664 125.1483 58.2616 28.9042 176.3853 78 T 4.5867 7.5742 106.1952 58.8116 71.7223 171.9526 79 P 3.9556 0.0000 0.0000 61.3680 31.1307 174.2453 80 N 5.0904 8.0470 121.7062 50.7829 40.2984 174.3491 81 E 3.9689 8.8848 114.8006 59.6872 29.0774 177.7253 82 E 4.1256 8.9323 118.3276 57.7718 29.7568 177.4072 83 C 4.9922 7.9784 115.1623 58.7872 29.2560 173.4856 84 L 4.2531 7.4066 121.4095 53.9787 42.6033 175.7268 85 F 5.1197 8.9799 122.0587 55.5431 43.0711 174.4553 86 L 4.7605 9.1824 123.2156 53.8203 42.6951 175.6196 87 E 4.3944 8.8192 126.9914 55.2333 30.0324 175.5860 88 R 4.8030 8.4005 125.4463 53.9511 34.7214 174.8950 89 L 4.7057 8.6932 123.3878 55.3029 43.1656 175.7954 90 E 4.6938 9.0625 123.9124 55.3415 33.6001 174.9024 91 E 3.9772 9.6762 124.2309 57.9355 27.2872 174.3426 92 N 4.3289 8.5924 110.4377 54.2148 36.6660 173.9996 93 H 4.7904 8.6110 116.4951 57.7261 36.2564 173.4984 94 Y 4.5304 7.9142 116.0173 57.4678 40.0067 173.7472 95 N 5.4692 9.4334 118.5910 52.0756 41.0835 174.6549 96 T 5.1864 8.6203 112.4988 60.1087 72.8183 172.6062 97 Y 4.9964 8.6622 120.4342 56.5772 40.8072 174.2643 98 I 4.4985 8.5867 126.3942 59.3722 39.2181 175.6460 99 S 3.7491 8.8545 122.7696 58.5815 62.4669 174.0334 100 K 3.9505 8.7331 129.2493 59.4057 32.2736 178.7170 101 K 3.7747 7.8886 118.0933 59.0891 32.1978 176.7613 102 H 4.6145 8.0375 114.6713 55.0726 29.4052 176.2170 103 A 3.9329 7.7205 125.7634 55.3576 18.1929 180.8423 104 E 3.9148 8.0072 111.8028 58.5161 29.6995 177.7086 105 K 3.9742 7.7075 117.7344 55.7405 32.8109 175.8095 106 N 3.9320 7.6752 115.4993 53.9760 36.2929 174.6403 107 W 5.2094 7.6642 117.7831 55.6653 31.1439 177.2232 108 F 5.4488 9.1827 123.4489 55.3033 41.5592 174.8582 109 L 4.4283 9.2177 123.2594 55.0544 43.1552 175.8399 110 G 4.3767 8.5403 110.9074 45.3938 0.0000 171.5075 111 L 5.3040 8.4253 120.8665 52.4653 45.2273 177.1179 112 K 4.3053 8.8923 123.0921 55.5729 32.8015 178.3612 113 K 4.1031 8.5090 120.1229 59.1388 31.9565 177.7362 114 N 4.5407 8.0722 113.9590 52.6460 37.9024 175.8909 115 G 3.5230 8.6883 109.0324 45.1295 0.0000 172.9684 116 S 4.9601 8.0440 114.7346 56.5595 65.4470 173.7470 117 C 4.7457 8.5339 119.3262 60.0716 28.5955 173.6693 118 K 4.3779 8.8905 122.2271 55.9130 33.2539 176.5800 119 R 4.4864 8.3075 120.7230 54.5827 31.9833 177.8443 120 G 3.3703 8.4727 112.8319 48.2064 0.0000 174.2838 121 P 4.3902 0.0000 0.0000 64.3580 31.4274 177.3621 122 R 4.4896 7.9615 116.3255 55.8537 30.1647 175.9342 123 T 5.3302 7.4613 108.0382 59.7917 71.3694 173.1895 124 H 4.7618 7.9701 115.2549 54.8734 30.6323 172.9569 125 Y 4.0564 8.7233 118.5707 60.0722 38.0568 177.1081 126 G 4.0814 9.0234 111.7625 45.4622 0.0000 173.9197 127 Q 4.2016 7.5196 118.4957 55.1701 29.8491 177.2859 128 K 3.7352 8.3381 119.5522 58.8155 32.7938 179.4282 129 A 3.9725 8.0690 121.3047 54.0142 18.3478 178.4550 130 I 4.4555 6.7647 105.9200 60.4524 37.9870 175.4788 131 L 4.3995 7.3580 123.0060 54.1042 42.4771 175.7980 132 F 5.2292 9.6279 122.8829 55.5449 43.3579 174.3401 133 L 5.2933 9.2434 121.0849 52.4315 44.5118 174.0183 134 P 5.1394 0.0000 0.0000 62.3606 32.4424 175.3970 135 L 4.9531 9.1305 125.6983 51.5877 44.4169 174.2746 136 P 4.4254 0.0000 0.0000 63.7210 31.6280 176.2945 137 V 3.8977 8.0426 121.7059 63.1059 31.0646 175.4933 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1B H 8.54 4.77 0.00 3.02 3.46 0.00 5.84 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1C H 8.11 4.53 0.00 2.95 2.79 0.00 7.17 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.74 4.96 0.00 3.07 3.24 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.73 5.10 0.00 3.16 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.96 4.59 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.43 4.79 0.00 2.81 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.52 4.59 0.00 2.94 2.78 0.00 0.00 6.90 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.08 4.74 0.00 1.46 1.40 0.52 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.60 0.00 2.15 2.07 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 5 P 0.00 4.35 0.00 2.16 2.06 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 7.47 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.73 4.63 0.00 2.65 2.63 0.00 0.00 5.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.02 4.76 0.00 3.09 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.02 4.05 0.00 1.73 1.91 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.56 7.81 10 K 7.63 4.64 0.00 1.76 1.57 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 0.97 7.81 11 P 0.00 4.87 0.00 2.09 2.21 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 12 K 9.40 5.17 0.00 1.75 1.88 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.43 1.66 7.81 13 L 9.12 5.34 0.00 1.77 1.75 0.60 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.81 5.21 0.00 1.51 1.60 0.17 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.43 4.90 0.00 3.34 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.81 4.24 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.26 3.84 0.00 3.99 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.82 4.10 0.00 2.52 2.78 0.00 0.00 6.73 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.65 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.71 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.07 4.97 0.00 2.98 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.99 5.42 0.00 3.09 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.34 4.65 0.00 1.86 1.64 0.95 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.55 5.10 0.00 1.97 2.08 0.00 3.22 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 25 I 8.44 4.93 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.97 0.00 0.00 26 L 8.99 4.13 0.00 1.67 1.52 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.36 0.00 2.01 2.12 0.00 3.48 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 28 D 7.96 4.50 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.68 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.59 4.23 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 31 V 8.15 4.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 32 D 8.75 4.59 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.77 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.88 5.01 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 35 R 8.89 4.25 0.00 1.88 2.00 0.00 3.22 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 36 D 8.25 4.60 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.65 3.66 0.00 1.85 1.96 0.00 2.50 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 38 S 8.90 4.29 0.00 3.95 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.68 4.35 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.46 4.28 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.23 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 41 H 9.34 4.82 0.00 3.25 3.40 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.29 4.62 1.96 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.59 1.11 0.00 0.00 43 Q 7.33 4.53 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 44 F 9.20 5.25 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.50 4.83 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 46 L 8.63 5.25 0.00 1.79 1.60 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.65 4.58 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.23 4.44 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.13 3.98 0.00 1.68 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 50 S 6.89 4.69 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.16 3.88 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.03 0.00 0.00 52 G 9.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.22 5.20 0.00 2.12 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 54 V 8.86 4.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.12 0.00 0.00 55 Y 8.88 5.09 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.63 4.31 1.57 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.30 0.00 0.00 57 K 8.67 4.63 0.00 1.46 1.65 0.00 1.18 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.98 0.21 7.81 58 S 9.16 4.38 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.35 3.80 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 60 E 8.20 4.02 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 61 T 8.06 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 62 G 8.17 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.69 4.46 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 64 Y 8.87 4.86 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.04 4.40 0.00 1.46 1.39 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.77 5.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.54 5.39 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 68 D 9.78 5.23 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.55 4.12 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 70 D 8.52 4.64 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.65 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.75 4.53 0.00 1.92 1.62 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.26 4.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.01 0.00 0.00 74 Y 9.15 4.92 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.07 5.11 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.07 4.14 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.57 4.59 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 79 P 0.00 3.96 0.00 1.01 0.49 0.00 3.43 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 80 N 8.05 5.09 0.00 2.91 2.93 0.00 0.00 5.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.88 3.97 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 82 E 8.93 4.13 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 83 C 7.98 4.99 0.00 3.27 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.41 4.25 0.00 1.37 1.33 0.77 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.98 5.12 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.18 4.76 0.00 1.51 1.60 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.82 4.39 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 88 R 8.40 4.80 0.00 1.79 1.80 0.00 3.03 0.00 0.00 2.86 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 89 L 8.69 4.71 0.00 1.51 1.67 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.06 4.69 0.00 2.23 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 91 E 9.68 3.98 0.00 2.39 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 92 N 8.59 4.33 0.00 2.85 2.89 0.00 0.00 6.86 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.61 4.79 0.00 2.86 3.00 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.91 4.53 0.00 3.06 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.43 5.47 0.00 3.03 2.61 0.00 0.00 6.93 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.62 5.19 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 97 Y 8.66 5.00 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.59 4.50 1.66 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.61 0.59 0.00 0.00 99 S 8.85 3.75 0.00 3.89 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.73 3.95 0.00 1.67 1.67 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.29 7.81 101 K 7.89 3.77 0.00 1.74 1.58 0.00 1.83 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.04 1.30 7.81 102 H 8.04 4.61 0.00 3.19 2.43 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.72 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.01 3.91 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 105 K 7.71 3.97 0.00 0.79 1.02 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.98 0.87 7.81 106 N 7.68 3.93 0.00 3.01 3.09 0.00 0.00 6.89 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.66 5.21 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.18 5.45 0.00 2.85 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.22 4.43 0.00 1.57 1.48 0.78 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.54 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.43 5.30 0.00 1.41 1.41 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.89 4.31 0.00 1.94 1.67 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.53 7.81 113 K 8.51 4.10 0.00 1.71 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.39 7.81 114 N 8.07 4.54 0.00 2.79 2.90 0.00 0.00 6.20 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.69 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.04 4.96 0.00 3.89 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 C 8.53 4.75 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.89 4.38 0.00 1.58 1.70 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.38 7.81 119 R 8.31 4.49 0.00 1.73 1.59 0.00 3.06 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 120 G 8.47 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.39 0.00 2.01 2.22 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 122 R 7.96 4.49 0.00 1.80 1.92 0.00 3.29 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 123 T 7.46 5.33 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 124 H 7.97 4.76 0.00 3.47 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.72 4.06 0.00 3.14 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.02 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.52 4.20 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.89 0.00 128 K 8.34 3.74 0.00 1.64 1.66 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.26 7.81 129 A 8.07 3.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 6.76 4.46 1.71 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.07 0.58 0.00 0.00 131 L 7.36 4.40 0.00 1.15 0.66 0.35 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.63 5.23 0.00 3.29 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.24 5.29 0.00 1.90 1.72 1.11 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.14 0.00 2.18 2.23 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 135 L 9.13 4.95 0.00 1.69 1.65 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.43 0.00 2.07 2.10 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 137 V 8.04 3.90 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.